MolNFT v1 · #175035 · protein
The crystal structure of tent hc complexed with neutralizing antibody
7CE2 · Tetanus toxin: “The crystal structure of tent hc complexed with neutralizing antibody”. X-ray diffraction, 12 pockets (best druggability 0.60). MolNFT v1 #175035 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CE2
- Type
- protein
- Length
- 874 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetanus toxin; Neutralizing antibody heavy chain; Neutralizing antibody light chain
- UniProt
- Q9LA13
- Pockets
- 12 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetanus toxin | protein | 446 | 8% helix, 44% strand | Q9LA13 |
| Z | Neutralizing antibody heavy chain | protein | 216 | 8% helix, 50% strand | — |
| B | Neutralizing antibody light chain | protein | 212 | 5% helix, 51% strand | — |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.60 | 0.92 | 17 | empty |
| 2 | 380 | 0.55 | 0.74 | 48 | empty |
| 3 | 167 | 0.55 | 0.80 | 27 | empty |
| 4 | 91 | 0.54 | 0.85 | 21 | empty |
| 5 | 154 | 0.53 | 0.80 | 25 | empty |
Interfaces
3 interfaces between chains.
- Z–B · 1695 Ų buried · 18 hydrogen bonds · protein-protein
- A–Z · 554 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 389 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7CE2 · The Crystal structure of TeNT Hc complexed with neutralizing antibody · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9LA13
- Elsewhere: RCSB PDB 7CE2 · PDBe 7CE2 · UniProt Q9LA13
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